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6,7-dinitro-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione

6,7-dinitro-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name:6,7-dinitro-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione
Openeye Name:2-(3-hydroxypropyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione
CAS Name:2-(3-hydroxypropyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione
IUPAC Name:2-(3-hydroxypropyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione
Traditional Name:2-(3-hydroxypropyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone
Formula: C15H11N3O7
MolecularWeight: 345.26374
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCCO)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCCO)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C15H11N3O7/c19-7-1-6-16-14(20)8-2-4-10(17(22)23)13-11(18(24)25)5-3-9(12(8)13)15(16)21/h2-5,19H,1,6-7H2


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